3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C19H19NO8S/c1-25-16-9-12(3-6-18(21)22)10-17(19(16)26-2)29(23,24)20-13-4-5-14-15(11-13)28-8-7-27-14/h3-6,9-11,20H,7-8H2,1-2H3,(H,21,22)